SCHEMBL15881663

SCHEMBL15881663

CCC(=O)NCc1ccc(OC)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15881635 0.88 ALDH1A1 (0.55) ALDH1A1
SCHEMBL17335563 0.85 EPHX2 (0.77) ALDH1A1
SCHEMBL23417918 0.85 ALDH1A1 (0.58) ALDH1A1
SCHEMBL1456923 0.83 P2RX7 (0.49) —
SCHEMBL1456919 0.83 P2RX7 (0.49) —
SCHEMBL31036978 0.83 P2RX7 (0.49) —
SCHEMBL17205705 0.81 CYP1A2 (0.71) ALDH1A1
SCHEMBL25558429 0.80 MMP13 (0.46) —
SCHEMBL23417762 0.80 TRPV1 (0.51) —
SCHEMBL30613373 0.79 SMN1; SMN2 (0.67) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945929-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-11-25 — — EP claimed
WO-2014111113-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-07-24 — — WO claimed
WO-2022246086-A1 ANTIBODY DRUG CONJUGATES USING MATES TECHNOLOGY FOR DELIVERING CYTOTOXIC AGENTS BIOHAVEN THERAPEUTICS LTD. (US) 2022-11-24 — — WO disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 — — WO disclosed
US-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 — — US disclosed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 — — US disclosed
EP-2945929-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-11-25 — — EP disclosed
WO-2014111113-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-07-24 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB ALDH1A1 385/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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